(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine

C9H9F6N — CID 167515097

IUPAC(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12/h3-5H,1-2H3/b5-3-,6-4-,16-7-
InChIKeyHFYJYRUBQWYNLP-UAOURNGISA-N
MW245.17 g/mol
LogP4.03
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine

(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine (PubChem CID 167515097) has the molecular formula C9H9F6N and a molecular weight of 245.17 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
PubChem CID167515097
Molecular FormulaC9H9F6N
Molecular Weight245.17 g/mol
Exact Mass245.06
IUPAC Name(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12/h3-5H,1-2H3/b5-3-,6-4-,16-7-
InChIKeyHFYJYRUBQWYNLP-UAOURNGISA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine (CID 167515097) is (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine is C/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is HFYJYRUBQWYNLP-UAOURNGISA-N. The full InChI is InChI=1S/C9H9F6N/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12/h3-5H,1-2H3/b5-3-,6-4-,16-7-.
What are the key properties of (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 245.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 167515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).